UCSF

ZINC36133061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.13 6.82 -60.76 1 5 -1 81 290.339 7
Lo Low (pH 4.5-6) 1.13 4.87 -12.75 2 5 0 78 291.347 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )